Ethylbenzene

Ethylbenzene

SCHEMBL16673245

CC(C)(C)OC(=O)c1ccccc1.CCc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SLC6A3 Q01959 2/20 0.50
TP53 P04637 1/20 0.50
SLC6A2 P23975 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTR1A P08908 1/20 0.45
SCN1A P35498 1/20 0.45
SCN5A Q14524 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL260960 0.89 TDP1 (0.64) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
SCHEMBL29199324 0.89 TDP1 (0.64) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
Hydrogen Peroxide SCHEMBL28425777 0.89 TDP1 (0.64) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
Hydrogen Peroxide SCHEMBL28474133 0.89 TDP1 (0.64) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
SCHEMBL7588248 0.87 ALDH1A1 (0.55) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
Hydrochloric Acid SCHEMBL23276979 0.87 TDP1 (0.62) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
SCHEMBL30915582 0.87 TDP1 (0.62) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
SCHEMBL6051152 0.87 TDP1 (0.62) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
Methane SCHEMBL10956850 0.87 TDP1 (0.62) SLC7A5CYP2D6CYP1A2CYP2C19TDP1
SCHEMBL31470406 0.87 TDP1 (0.62) SLC7A5CYP2D6CYP1A2CYP2C19TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed